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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1s,3s,4as,9ar)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-cyclohexylacetamide

Preferred term

2-[(1s,3s,4as,9ar)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-cyclohexylacetamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H35N3O6

inchi

  • InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25-,27+/m0/s1

inchikey

  • ATPIYVGDEBDNGC-NTYBTQPHSA-N

mass

  • 509.595

monoisotopicmass

  • 509.25259

smiles

  • COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NC5CCCCC5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103110

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